SCHEMBL16682133

SCHEMBL16682133

CC(C)(C)N/C(=N/C(=O)CN1CCOCC1)Nc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
CNR2 P34972 5/20 0.38
CHRNA3 P32297 1/20 0.36
WDR5 P61964 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LCK P06239 1/20 0.35
RET P07949 1/20 0.35
SRC P12931 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 2/20 0.35
CACNA1I Q9P0X4 1/20 0.35
STK25 O00506 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16675932 0.87 EGFR (0.42) EGFRCNR2CHRNA3LCKRET
SCHEMBL16682131 0.86 WDR5 (0.37) EGFRCNR2CHRNA3WDR5POLB
SCHEMBL16682118 0.83 MAPK1 (0.42) EGFRCNR2CHRNA3WDR5RET
SCHEMBL16682178 0.83 CNR2 (0.40) CNR2WDR5LCKRETSRC
SCHEMBL16682108 0.81 CYP2D6 (0.44) WDR5POLBL3MBTL1HIF1AEPAS1
SCHEMBL16682115 0.80 CRHR1 (0.36) CNR2LCKRETSRCCACNA1I
SCHEMBL16682128 0.79 RET (0.39) LCKRETSRCSTK25
SCHEMBL16682130 0.77 STK25 (0.39) LCKRETSRCCACNA1ISTK25
SCHEMBL16682113 0.77 CRHR1 (0.38) CNR2POLBLCKRETSRC
SCHEMBL16682184 0.74 STK25 (0.39) CNR2LCKRETSRCCACNA1I

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C EGFR 4181/4885CNR2 4204/4885CHRNA3 4412/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.